CID 16777448

N-(4-amino-2,6-dichlorophenyl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C12H9Cl2N3O
SMILES
C1=CN=CC=C1C(=O)NC2=C(C=C(C=C2Cl)N)Cl
InChI
InChI=1S/C12H9Cl2N3O/c13-9-5-8(15)6-10(14)11(9)17-12(18)7-1-3-16-4-2-7/h1-6H,15H2,(H,17,18)
InChIKey
DXZFYWAJRSLXEG-UHFFFAOYSA-N
Compound name
N-(4-amino-2,6-dichlorophenyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.01227 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01955 159.3
[M+Na]+ 304.00149 169.0
[M-H]- 280.00499 164.0
[M+NH4]+ 299.04609 174.6
[M+K]+ 319.97543 162.4
[M+H-H2O]+ 264.00953 152.7
[M+HCOO]- 326.01047 174.2
[M+CH3COO]- 340.02612 200.9
[M+Na-2H]- 301.98694 163.5
[M]+ 281.01172 160.5
[M]- 281.01282 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.